SCHEMBL21408293

SCHEMBL21408293

c1ccc2nc(-c3cccc4nc5ccccc5cc34)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ POLB P06746 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GLA P06280 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ PTBP1 P26599 1/20 0.53
▸ RCE1 Q9Y256 1/20 0.53
▸ MAPT P10636 2/20 0.48
▸ ACHE P22303 1/20 0.48
▸ AR P10275 12/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2223207 0.86 AR (0.48) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL4014126 0.85 KMT2A (0.64) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL240495 0.83 AR (0.55) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL31257126 0.83 LMNA (0.46) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL29986507 0.81 AR (0.54) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL29986181 0.80 AR (0.53) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL1187275 0.79 ALDH1A1 (0.58) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL1122659 0.79 ALDH1A1 (0.58) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL30271293 0.79 KDM4E (0.50) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL10336899 0.79 KDM4E (0.50) NPC1RAB9AKMT2APOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116887607-A Method for improving thermal stability of perovskite solar cell 河北工业大学 2023-10-13 — — CN claimed
CN-116887607-A Method for improving thermal stability of perovskite solar cell 河北工业大学 2023-10-13 — — CN disclosed
WO-2019185046-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF 上海美悦生物科技发展有限公司 2019-10-03 — — WO disclosed
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